1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloranyl-3,5-dimethyl-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloranyl-3,5-dimethyl-phenoxy)propan-2-ol Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethyl-phenoxy)propan-2-ol CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-chloro-3,5-dimethylphenoxy)-2-propanol IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chloro-3,5-dimethylphenoxy)propan-2-ol Traditional Name: 1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-piperonylpiperazino)propan-2-ol Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H29ClN2O4/c1-16-9-20(10-17(2)23(16)24)28-14-19(27)13-26-7-5-25(6-8-26)12-18-3-4-21-22(11-18)30-15-29-21/h3-4,9-11,19,27H,5-8,12-15H2,1-2H3